4-[3-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide

C23H20ClNO2S — CID 71597106

IUPAC4-[3-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2C=C(c3ccc(Cl)cc3)CC2c2ccccc2)cc1
InChIInChI=1S/C23H20ClNO2S/c24-20-10-6-16(7-11-20)19-14-22(17-4-2-1-3-5-17)23(15-19)18-8-12-21(13-9-18)28(25,26)27/h1-13,15,22-23H,14H2,(H2,25,26,27)
InChIKeyZBEHNKMXNPUQIT-UHFFFAOYSA-N
MW409.94 g/mol
LogP5.34
Rot. Bonds4

About 4-[3-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide

4-[3-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide (PubChem CID 71597106) has the molecular formula C23H20ClNO2S and a molecular weight of 409.94 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide
PubChem CID71597106
Molecular FormulaC23H20ClNO2S
Molecular Weight409.94 g/mol
Exact Mass409.09
IUPAC Name4-[3-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2C=C(c3ccc(Cl)cc3)CC2c2ccccc2)cc1
InChIInChI=1S/C23H20ClNO2S/c24-20-10-6-16(7-11-20)19-14-22(17-4-2-1-3-5-17)23(15-19)18-8-12-21(13-9-18)28(25,26)27/h1-13,15,22-23H,14H2,(H2,25,26,27)
InChIKeyZBEHNKMXNPUQIT-UHFFFAOYSA-N
XLogP5.34
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.94
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide (CID 71597106) is 4-[3-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2C=C(c3ccc(Cl)cc3)CC2c2ccccc2)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide?
The InChIKey is ZBEHNKMXNPUQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO2S/c24-20-10-6-16(7-11-20)19-14-22(17-4-2-1-3-5-17)23(15-19)18-8-12-21(13-9-18)28(25,26)27/h1-13,15,22-23H,14H2,(H2,25,26,27).
What are the key properties of 4-[3-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide?
4-[3-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide has a molecular weight of 409.94 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-yl]benzenesulfonamide is sourced from PubChem (CID 71597106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).